N6-(3-methylphenyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylphenyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-5-quinolyl)-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylphenyl)-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylphenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O2/c1-13-5-3-6-15(11-13)25-20-19(27(28)29)21(23-12-22-20)26-18-8-4-7-17-16(18)10-9-14(2)24-17/h3-12H,1-2H3,(H2,22,23,25,26)